结构:O=C1CSCCN1
HCID88402

1,4-Tetrahydrothiazine-3-one

thiomorpholin-3-one

C4H7NOS117.17 g/molCAS 20196-21-8

IDENTITY

结构与身份

标准 SMILES
O=C1CSCCN1
InChIKey
HBDDRESWUAFAHY-UHFFFAOYSA-N
分子式
C4H7NOS
平均分子量
117.17 g/mol
单同位素质量
117.02483502

COMPUTED

结构计算性质

已同步
XLogP
0
极性表面积
54.4 Ų
氢键供体
1
氢键受体
2
可旋转键
0
重原子
7
形式电荷
0
复杂度
83

GHS

GHS 分类

来源:PubChem
GHS Classification

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Skin Irrit. 2 (50%);Eye Irrit. 2 (100%);STOT SE 3 (50%)

USES

用途与制造

来源:PubChem
Use Classification

Cosmetics -> Antioxidant

ALIASES

名称与别名

44
Thiomorpholin-3-one3-ThiomorpholinoneThiomorpholinone1,4-Tetrahydrothiazine-3-one1,4-Thiazinan-3-oneUNII-SK56OUS8CHSK56OUS8CHEINECS 243-581-8NSC 27540BRN 0107799MEXORYL SPNSC-27540DTXSID001740334-27-00-02550 (Beilstein Handbook Reference)RefChem:196833THIOMORPHOLINONE [INCI]DTXCID4096524InChI=1/C4H7NOS/c6-4-3-7-2-1-5-4/h1-3H2,(H,5,620196-21-83-Oxothiomorpholine

REACTIONS

参与反应

39
HRID110982

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 110982 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看条件与参与物